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DocumentationIdentifier: MM165920
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165920 |
| SMILES |
CCCCCC(O)C=O
|
| InChIKey |
CWBPXSZASLMQHN-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM363837
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| Tanimoto metric | 0.9661 |
|---|---|
| Cosine metric | 0.9829 |
| Dice metric | 0.9828 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.52 |
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| Tanimoto metric | 0.9344 |
|---|---|
| Cosine metric | 0.9667 |
| Dice metric | 0.9661 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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